Information card for entry 4341546

Structure parameters

• Formula: C39 H46 Cr N9 O12
• Calculated formula: C39 H46 Cr N9 O12
• SMILES: [Cr]123([N]4C(C)(C)C(C)(C)[N](=O)C=4c4c(O1)ccc(N(=O)=O)c4)([N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O2)ccc(N(=O)=O)c1)ON1C(C)(C)C(C)(C)[NH+]=C1c1c(O3)ccc(N(=O)=O)c1
• Title of publication: Redox-induced change in the ligand coordination mode.
• Authors of publication: Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10033 - 10035
• a: 11.9015 ± 0.0009 Å
• b: 14.4551 ± 0.0005 Å
• c: 14.8591 ± 0.0005 Å
• α: 118.28 ± 0.002°
• β: 98.469 ± 0.003°
• γ: 94.124 ± 0.003°
• Cell volume: 2197 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No